8SRY
| Crystal structure of BAK-BAX heterodimer with C12E8 | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, ... | Authors: | Brouwer, J.M, Czabotar, P.E, Colman, P.M, Miller, M.S. | Deposit date: | 2023-05-08 | Release date: | 2023-12-27 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids. Febs J., 291, 2024
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3I1H
| Crystal structure of human BFL-1 in complex with BAK BH3 peptide | Descriptor: | Apoptosis regulator BAK, Protein BFL-1 | Authors: | Guan, R, Xiao, R, Zhao, L, Acton, T, White, E, Gelinas, C, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-06-26 | Release date: | 2009-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | crystal structure of human BFL-1 in complex with BAK BH3 peptide To be Published
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4ZBI
| Mcl-1 complexed with small molecules | Descriptor: | 1-[3-(naphthalen-1-yloxy)propyl]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Zhao, B. | Deposit date: | 2015-04-14 | Release date: | 2015-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of tricyclic indoles that potently inhibit mcl-1 using fragment-based methods and structure-based design. J.Med.Chem., 58, 2015
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4ZEQ
| Crystal Structure of human BFL-1 in complex with tBid BH3 peptide, Northeast Structural Genomics Consortium Target HX9247 | Descriptor: | BH3-interacting domain death agonist, Bcl-2-related protein A1 | Authors: | Guan, R, Xiao, R, Mao, L, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2015-04-20 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of human BFL-1 in complex with tBid BH3 peptide To Be Published
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4ZII
| Crystal Structure of core/latch dimer of BaxI66A in complex with BidBH3 | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator BAX, BH3-interacting domain death agonist | Authors: | Czabotar, P.E, Robin, A.Y, Krishna Kumar, K, Westphal, D, Wardak, A.Z, Thompson, G.V, Dewson, G, Colman, P.M. | Deposit date: | 2015-04-28 | Release date: | 2015-07-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.191 Å) | Cite: | Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction. Cell Death Dis, 6, 2015
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8G3W
| MBP-Mcl1 in complex with ligand 28 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Maltodextrin-binding protein, ... | Authors: | Miller, B.R, Shaffer, P. | Deposit date: | 2023-02-08 | Release date: | 2023-05-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Discovery of an Oral, Beyond-Rule-of-Five Mcl-1 Protein-Protein Interaction Modulator with the Potential of Treating Hematological Malignancies. J.Med.Chem., 66, 2023
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4ZIG
| Crystal Structure of core/latch dimer of Bax in complex with BidBH3mini | Descriptor: | Apoptosis regulator BAX, BH3-interacting domain death agonist | Authors: | Robin, A.Y, Krishna Kumar, K, Westphal, D, Wardak, A.Z, Thompson, G.V, Dewson, G, Colman, P.M, Czabotar, P.E. | Deposit date: | 2015-04-28 | Release date: | 2015-07-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction. Cell Death Dis, 6, 2015
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8G3T
| MBP-Mcl1 in complex with ligand 12 | Descriptor: | (1'S,3aS,5R,16R,17S,19Z,21R,21aR)-6'-chloro-20-fluoro-21-methoxy-16,17-dimethyl-2,3,3',3a,4',16,17,18,21,21a-decahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-etheno-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalene]-13,15,15(4H,14H)-trione, 1,2-ETHANEDIOL, FORMIC ACID, ... | Authors: | Miller, B.R, Shaffer, P. | Deposit date: | 2023-02-08 | Release date: | 2023-05-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of an Oral, Beyond-Rule-of-Five Mcl-1 Protein-Protein Interaction Modulator with the Potential of Treating Hematological Malignancies. J.Med.Chem., 66, 2023
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8G3Y
| MBP-Mcl1 in complex with ligand 34 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Miller, B.R, Shaffer, P. | Deposit date: | 2023-02-08 | Release date: | 2023-05-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of an Oral, Beyond-Rule-of-Five Mcl-1 Protein-Protein Interaction Modulator with the Potential of Treating Hematological Malignancies. J.Med.Chem., 66, 2023
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8G3S
| MBP-Mcl1 in complex with ligand 11 | Descriptor: | (1'S,3aS,5R,16R,17S,19E,21S,21aR)-6'-chloro-21-methoxy-16,17-dimethyl-2,3,3',3a,4',16,17,18,21,21a-decahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-etheno-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalene]-13,15,15(4H,14H)-trione, FORMIC ACID, Maltodextrin-binding protein, ... | Authors: | Miller, B.R, Shaffer, P. | Deposit date: | 2023-02-08 | Release date: | 2023-05-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery of an Oral, Beyond-Rule-of-Five Mcl-1 Protein-Protein Interaction Modulator with the Potential of Treating Hematological Malignancies. J.Med.Chem., 66, 2023
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8G3X
| MBP-Mcl1 in complex with ligand 32 | Descriptor: | 1,2-ETHANEDIOL, Maltodextrin-binding protein, Induced myeloid leukemia cell differentiation protein Mcl-1 chimera, ... | Authors: | Miller, B.R, Shaffer, P. | Deposit date: | 2023-02-08 | Release date: | 2023-05-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Discovery of an Oral, Beyond-Rule-of-Five Mcl-1 Protein-Protein Interaction Modulator with the Potential of Treating Hematological Malignancies. J.Med.Chem., 66, 2023
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8G3U
| MBP-Mcl1 in complex with ligand 21 | Descriptor: | (1'S,3aS,5R,16R,17S,19Z,21R,21aR)-6'-chloro-20-fluoro-21-{[(5S,9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]methyl}-21-methoxy-16,17-dimethyl-2,3,3',3a,4',16,17,18,21,21a-decahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-(ethanediylidene)-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalene]-13,15,15(4H,14H)-trione, 1,2-ETHANEDIOL, Maltodextrin-binding protein, ... | Authors: | Miller, B.R, Shaffer, P. | Deposit date: | 2023-02-08 | Release date: | 2023-05-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery of an Oral, Beyond-Rule-of-Five Mcl-1 Protein-Protein Interaction Modulator with the Potential of Treating Hematological Malignancies. J.Med.Chem., 66, 2023
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4ZBF
| Mcl-1 complexed with small molecules | Descriptor: | (1R)-7-[3-(naphthalen-1-yloxy)propyl]-3,4-dihydro-2H-[1,4]thiazepino[2,3,4-hi]indole-6-carboxylic acid 1-oxide, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Zhao, B. | Deposit date: | 2015-04-14 | Release date: | 2015-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of tricyclic indoles that potently inhibit mcl-1 using fragment-based methods and structure-based design. J.Med.Chem., 58, 2015
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8G1T
| Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P21 | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator BAX | Authors: | Cowan, A.D, Colman, P.M, Czabotar, P.E, Miller, M.S. | Deposit date: | 2023-02-02 | Release date: | 2023-12-27 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.092 Å) | Cite: | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids. Febs J., 291, 2024
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6NE5
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6O6F
| Co-crystal structure of Mcl1 with inhibitor | Descriptor: | (3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X. | Deposit date: | 2019-03-06 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Cancer Discov, 8, 2018
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6ODH
| BH3 domain swapped dimer of a BAK fragment | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bcl-2 homologous antagonist/killer, DI(HYDROXYETHYL)ETHER, ... | Authors: | Liu, L.-K. | Deposit date: | 2019-03-26 | Release date: | 2020-10-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A BAK fragment that binds mitochondrial lipids and releases cytochrome c To Be Published
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6O4U
| Co-crystal structure of Mcl1 with inhibitor | Descriptor: | (2~{S})-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-~{N}-(2-methylpropylsulfonyl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X. | Deposit date: | 2019-03-01 | Release date: | 2020-03-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformational Restriction Toward the Discovery of Macrocyclic MCL1 Inhibitors that Display Efficacy in Mouse Xenograft Models To Be Published
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6OQD
| Crystal structure of Mcl1 with inhibitor 8 | Descriptor: | (4S,7aR,9aR,10S,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,11,12,13,14,15-dodecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X. | Deposit date: | 2019-04-26 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Cancer Discov, 8, 2018
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6OQN
| Crystal structure of Mcl1 with inhibitor 7 | Descriptor: | (4S)-5'-chloro-2',3',7,8,9,10,11,12-octahydro-3H,5H,14H-spiro[1,19-etheno-16lambda~6~-[1,4]oxazepino[3,4-i][1,4,5,10]oxathiadiazacyclohexadecine-4,1'-indene]-16,16,18(15H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X. | Deposit date: | 2019-04-26 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Cancer Discov, 8, 2018
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6OQB
| Co-crystal structure of Mcl1 with inhibitor 10 | Descriptor: | (4S,7aR,9aR,10S,11E,15R)-6'-chloro-15-ethyl-10-hydroxy-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X. | Deposit date: | 2019-04-26 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Cancer Discov, 8, 2018
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6O6G
| Co-crystal structure of Mcl1 with inhibitor | Descriptor: | (3S)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X. | Deposit date: | 2019-03-06 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Cancer Discov, 8, 2018
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6OVC
| hMcl1 inhibitor complex | Descriptor: | (2S)-N-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Poppe, L. | Deposit date: | 2019-05-07 | Release date: | 2019-05-22 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Cancer Discov, 8, 2018
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6OQC
| Crystal structure of Mcl1 with inhibitor 9 | Descriptor: | (4S,7aR,9aR,10S,11E,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X. | Deposit date: | 2019-04-26 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. CANCER DISCOV, 8, 2018
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4BPJ
| Mcl-1 bound to alpha beta Puma BH3 peptide 3 | Descriptor: | ALPHA BETA BH3-PEPTIDE, CHLORIDE ION, FUSION PROTEIN CONSISTING OF INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION PROTEIN MCL-1 HOMOLOG, ... | Authors: | Smith, B.J, Lee, E.F, Checco, J.W, Gellman, S.H, Fairlie, W.D. | Deposit date: | 2013-05-27 | Release date: | 2014-04-09 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Structure-Guided Rational Design of Alpha/Beta-Peptide Foldamers with High Affinity for Bcl-2 Family Prosurvival Proteins. Chembiochem, 14, 2013
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